(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one

C15H18N2O4 — CID 12842153

IUPAC(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)CCN1CCOCC1
InChIInChI=1S/C15H18N2O4/c18-15(6-7-16-8-10-21-11-9-16)5-4-13-2-1-3-14(12-13)17(19)20/h1-5,12H,6-11H2/b5-4+
InChIKeyBXDLEAZHIBKICX-SNAWJCMRSA-N
MW290.32 g/mol
LogP1.90
Rot. Bonds6

About (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one

(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one (PubChem CID 12842153) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
PubChem CID12842153
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)CCN1CCOCC1
InChIInChI=1S/C15H18N2O4/c18-15(6-7-16-8-10-21-11-9-16)5-4-13-2-1-3-14(12-13)17(19)20/h1-5,12H,6-11H2/b5-4+
InChIKeyBXDLEAZHIBKICX-SNAWJCMRSA-N
XLogP1.90
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
CID 3887440
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682150
(E)-1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682151
(E)-1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one
CID 12842145
1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70534836
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2166442
1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70518223
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)prop-2-enamide
CID 74588875
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)prop-2-enamide
CID 73452278
3-(3-nitrophenyl)prop-2-enamide
CID 692292
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
(2R)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 28718738

Frequently Asked Questions

What is the IUPAC name of (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one?
The IUPAC name of (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one (CID 12842153) is (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one.
What is the SMILES notation for (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one?
The canonical SMILES for (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one is O=C(/C=C/c1cccc([N+](=O)[O-])c1)CCN1CCOCC1.
What is the InChIKey of (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one?
The InChIKey is BXDLEAZHIBKICX-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-15(6-7-16-8-10-21-11-9-16)5-4-13-2-1-3-14(12-13)17(19)20/h1-5,12H,6-11H2/b5-4+.
What are the key properties of (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one?
(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one has a molecular weight of 290.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one is sourced from PubChem (CID 12842153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).